N-methyl-1-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine

C11H15N3OS — CID 114823838

IUPACN-methyl-1-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESCCC(NC)c1nnc(-c2coc(C)c2)s1
InChIInChI=1S/C11H15N3OS/c1-4-9(12-3)11-14-13-10(16-11)8-5-7(2)15-6-8/h5-6,9,12H,4H2,1-3H3
InChIKeyDAWONGRELZCPDV-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.78
Rot. Bonds4

About N-methyl-1-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine

N-methyl-1-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine (PubChem CID 114823838) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is N-methyl-1-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
PubChem CID114823838
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC NameN-methyl-1-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
SMILESCCC(NC)c1nnc(-c2coc(C)c2)s1
InChIInChI=1S/C11H15N3OS/c1-4-9(12-3)11-14-13-10(16-11)8-5-7(2)15-6-8/h5-6,9,12H,4H2,1-3H3
InChIKeyDAWONGRELZCPDV-UHFFFAOYSA-N
XLogP2.78
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(4-chloro-3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylpropan-1-amine
CID 114025397
1-[5-(3-bromo-4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylpropan-1-amine
CID 114025396
1-[5-(2-iodo-3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-methylpropan-1-amine
CID 114029802
N-ethyl-2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 114823828
2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 114823788
N-methyl-1-[5-(5-nitrothiophen-2-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 114033578
N-[[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]methyl]cyclopropanamine
CID 114823813
N-ethyl-1-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 114822856
1-[5-(2-adamantyl)-1,3,4-thiadiazol-2-yl]-N-methylpropan-1-amine
CID 81098722
1-[5-(2,2-dimethylcyclopropyl)-1,3,4-thiadiazol-2-yl]-N-methylpropan-1-amine
CID 107003570
2-(5-ethylthiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 115842340
1-[5-(4,5-dibromothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 80538071

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The IUPAC name of N-methyl-1-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine (CID 114823838) is N-methyl-1-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-methyl-1-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine is CCC(NC)c1nnc(-c2coc(C)c2)s1.
What is the InChIKey of N-methyl-1-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
The InChIKey is DAWONGRELZCPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-4-9(12-3)11-14-13-10(16-11)8-5-7(2)15-6-8/h5-6,9,12H,4H2,1-3H3.
What are the key properties of N-methyl-1-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine?
N-methyl-1-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine has a molecular weight of 237.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 114823838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).